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5U9F
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BU of 5u9f by Molmil
3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure II)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A.
Deposit date:2016-12-16
Release date:2017-03-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of ribosome rescue by ArfA and RF2.
Elife, 6, 2017
6JNU
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BU of 6jnu by Molmil
Catalase structure determined by eEFD (dataset 2)
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yonekura, K, Maki-Yonekura, S.
Deposit date:2019-03-18
Release date:2019-04-24
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (3.001 Å)
Cite:A new cryo-EM system for electron 3D crystallography by eEFD.
J.Struct.Biol., 206, 2019
6Q17
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BU of 6q17 by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
5TVQ
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BU of 5tvq by Molmil
Mouse Tdp2 catalytic domain bound to SUMO2
Descriptor: ACETATE ION, CALCIUM ION, Small ubiquitin-related modifier 2, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-11-09
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:ZATT (ZNF451)-mediated resolution of topoisomerase 2 DNA-protein cross-links.
Science, 357, 2017
6QAA
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BU of 6qaa by Molmil
Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S.
Deposit date:2018-12-19
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
6C08
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BU of 6c08 by Molmil
Zebrafish SLC38A9 with arginine bound in the cytosol open state
Descriptor: ARGININE, Sodium-coupled neutral amino acid transporter 9, antibody Fab Heavy Chain, ...
Authors:Lei, H.-T, Gonen, T.
Deposit date:2017-12-28
Release date:2018-06-20
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Crystal structure of arginine-bound lysosomal transporter SLC38A9 in the cytosol-open state.
Nat. Struct. Mol. Biol., 25, 2018
6BUG
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BU of 6bug by Molmil
Crystal structure of a membrane protein, crystal form I
Descriptor: D-alanyl carrier protein, D-alanyl transfer protein DltB
Authors:Ma, D, Wang, Z, Xu, W.
Deposit date:2017-12-10
Release date:2018-10-10
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Crystal structure of a membrane-bound O-acyltransferase.
Nature, 562, 2018
6C0P
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BU of 6c0p by Molmil
Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-01-01
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6BV1
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BU of 6bv1 by Molmil
Crystal structure of porcine aminopeptidase-N with Aspartic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
5TXE
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BU of 5txe by Molmil
AtxE2 Isopeptidase - S527A Variant with Astexin3-dC4 Bound
Descriptor: Astexin3-dC4, AtxE2
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-11-16
Release date:2016-12-21
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
7LII
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BU of 7lii by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7D
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
6BW6
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BU of 6bw6 by Molmil
Human GPT (DPAGT1) H129 variant in complex with tunicamycin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase
Authors:Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y.
Deposit date:2017-12-14
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation.
Nat. Struct. Mol. Biol., 25, 2018
7LIL
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BU of 7lil by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant SE3
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
6QB3
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BU of 6qb3 by Molmil
Apo Mcl1 in a complex with a scFv
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
Authors:Kazmirski, S, Hargreaves, D.
Deposit date:2018-12-20
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6BX5
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BU of 6bx5 by Molmil
The crystal structure of fluoride channel Fluc Ec2 with Monobody S12
Descriptor: FLUORIDE ION, Monobody S12, Putative fluoride ion transporter CrcB, ...
Authors:Turman, D.L, Miller, C.
Deposit date:2017-12-17
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Interactions between a Fluoride Ion Channel and Synthetic Protein Blockers.
Biochemistry, 57, 2018
7LIM
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BU of 7lim by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S6E
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
3B3M
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BU of 3b3m by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
Descriptor: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
7LK4
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BU of 7lk4 by Molmil
Crystal structure of BAK L100A in complex with activating antibody fragments
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7D10 antibody VH fragment, 7D10 antibody VL fragment, ...
Authors:Robin, Y.A, Colman, P.M.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the BAK-activating antibody 7D10 bound to BAK reveals an unexpected role for the alpha 1-alpha 2 loop in BAK activation.
Cell Death Differ., 29, 2022
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
7LIJ
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BU of 7lij by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S1K
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
6JHD
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BU of 6jhd by Molmil
Solution structure of IFN alpha8
Descriptor: Interferon alpha-8
Authors:Ken-ichi, A, Shigeyuki, M.
Deposit date:2019-02-18
Release date:2020-02-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Determination of solution structure of interferon alpha8: Novel insights into the preferred interaction with IFNAR2 among its subtypes
To Be Published
3B4Y
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BU of 3b4y by Molmil
FGD1 (Rv0407) from Mycobacterium tuberculosis
Descriptor: CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1
Authors:Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-10-25
Release date:2008-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
3B62
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BU of 3b62 by Molmil
EmrE multidrug transporter in complex with P4P, P21 crystal form
Descriptor: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
Authors:Chang, G, Chen, Y.J.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7LIK
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BU of 7lik by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S1R
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017

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